Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29880554 | 1.00 | NR1H4 (0.50) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL4302795 | 0.92 | ABCG2 (0.43) | NR1H4ABCB1ABCG2ESR1MEN1 | |
| SCHEMBL29881780 | 0.89 | NR1H4 (0.49) | NR1H4ABCB1ABCG2ESR1CYP2C8 | |
| SCHEMBL5733404 | 0.89 | NR1H4 (0.49) | NR1H4ABCB1ABCG2ESR1CYP2C8 | |
| SCHEMBL4299699 | 0.87 | NR1H4 (0.48) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL274556 | 0.86 | NR1H4 (0.69) | NR1H4CDK4CCND1POLBMEN1 | |
| SCHEMBL273732 | 0.85 | NR1H4 (0.70) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL274941 | 0.85 | NR1H4 (0.45) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL29881127 | 0.85 | NR1H4 (0.70) | NR1H4ABCB1ABCG2CDK4CCND1 | |
| SCHEMBL274942 | 0.84 | NR1H4 (0.44) | NR1H4ABCB1ABCG2CDK4CCND1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532153-B1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X CEPTOR THERAPEUTICS INC (US) | 2012-02-29 | — | — | EP | claimed |
| US-7595311-B2 | Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents | EXELIXIS, INC. (US) | 2009-09-29 | — | — | US | claimed |